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. 2023 Jul 7;9(8):1470–1487. doi: 10.1021/acsinfecdis.3c00040

Table 7. Hybrid Analogues That Combine the Most Promising Modifications for L. infantum Activity and Physicochemical Property Modulation.

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ID R1 R2 R3 L.inf pEC50 PMM pCC50 SI aq. sol.a HLM clintb RH clintc logD7.4 LLEd
3ah OMe H A 5.9 5.1 6 0.4 240 >300 5.2 0.7
3ai OMe H B 5.6 4.8 6 1 44 76 4.8 0.8
4m OMe Me B 6.1 5.4 5 27 260 >300 3.7 2.4
4k H Me A 6.3 4.5 63 26 210 >300 3.4 2.9
4l H Me B 6.3 5.1 16 10 93 >300 3.7 2.6
4a H Me C 6.0 5.4 4 120 110 >300 3.7 2.3
4n OMe Me C 6.1 5.1 10 17 250 >300 2.9 3.2
a

Thermodynamic aqueous solubility μM.

b

μL/min/mg protein.

c

μL/min/106 cells.

d

LLE = pEC50 – LogD7.4.